N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide

C17H19N5O3 — CID 18586745

IUPACN-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C17H19N5O3/c1-4-25-9-15(23)20-21-10-18-16-14(17(21)24)8-19-22(16)13-6-5-11(2)12(3)7-13/h5-8,10H,4,9H2,1-3H3,(H,20,23)
InChIKeyHZJRABOBKNYBGJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.31
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide

N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide (PubChem CID 18586745) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide
PubChem CID18586745
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C17H19N5O3/c1-4-25-9-15(23)20-21-10-18-16-14(17(21)24)8-19-22(16)13-6-5-11(2)12(3)7-13/h5-8,10H,4,9H2,1-3H3,(H,20,23)
InChIKeyHZJRABOBKNYBGJ-UHFFFAOYSA-N
XLogP1.31
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]but-2-enamide
CID 16804222
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-4-methoxybenzamide
CID 16804233
N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 18586689
2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 18586679
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide
CID 16804279
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433574
2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 3236282
5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160477
2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 16832691
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 16811181
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 42525032
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide
CID 16811184

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide (CID 18586745) is N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide is CCOCC(=O)Nn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide?
The InChIKey is HZJRABOBKNYBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-4-25-9-15(23)20-21-10-18-16-14(17(21)24)8-19-22(16)13-6-5-11(2)12(3)7-13/h5-8,10H,4,9H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide?
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide has a molecular weight of 341.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide is sourced from PubChem (CID 18586745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).